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(2E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile hydrochloride

(2E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile hydrochloride

CAS: 661489-23-2

Formula: C11H13ClN2

SMILES: Cl.CC1=CC(C=CC#N)=CC(C)=C1N

IUPAC: (2E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile hydrochloride

InChI: InChI=1S/C11H12N2.ClH/c1-8-6-10(4-3-5-12)7-9(2)11(8)13;/h3-4,6-7H,13H2,1-2H3;1H/b4-3+;

Composition: C (63.31%), H (6.28%), Cl (16.99%), N (13.42%)

Molar Mass: 208.69

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.0767261
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DHBOHGCHPDMVOD-BJILWQEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.82
Topological Polar Surface Area 49.81
Polarizability 20.13
Ring Count 1
Rotatable Bond Count 1

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SSK Biosciences Pvt. Ltd
Purity LeadTime CAS PacketSize UnitPrice
99% <21 Days 661489-23-2 $15.53-$1,035.00$15.53$1,035.00
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